Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | TDP2 | O95551 | 3/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29385201 | 0.83 | KDM4E (0.39) | HSD17B10KDM4ELMNAPPARAPPARG | |
| SCHEMBL29117493 | 0.82 | FAAH (0.39) | HSD17B10KDM4ELMNAPPARAPPARG | |
| SCHEMBL30663266 | 0.81 | PTPN1 (0.38) | PPARAPPARG | |
| SCHEMBL14895436 | 0.80 | BRD4 (0.55) | BRD4TDP2PDE4AHSD17B10KDM4E | |
| SCHEMBL29117492 | 0.80 | PTPN1 (0.40) | PPARAPPARG | |
| Trifluoroacetic Acid SCHEMBL30437577 | 0.79 | MLYCD (0.38) | KDM4EPPARAPPARGALDH1A1 | |
| SCHEMBL28066688 | 0.76 | BRD4 (0.53) | BRD4TDP2PDE4AKDM4EKDM4A | |
| SCHEMBL27909842 | 0.76 | BRD4 (0.57) | BRD4TDP2PDE4AHSD17B10KDM4E | |
| SCHEMBL15329486 | 0.75 | FAAH (0.41) | ALOX5LMNAPPARAPPARGALDH1A1 | |
| SCHEMBL15329487 | 0.74 | FAAH (0.40) | ALOX5LMNAPPARAPPARGALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116981669-A | Pyrimidine or pyrido heterocyclic adenosine receptor inhibitor, preparation method and application thereof | 上海齐鲁制药研究中心有限公司 | 2023-10-31 | — | — | CN | disclosed |